933-75-5

2,3,6-三氯苯酚(933-75-5)红外图谱(IR2)

产品名称:2,3,6-三氯苯酚

CAS:933-75-5

分子式:C6H3Cl3O

分子量: 197.45

InChI:InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

InChIKey: XGCHAIDDPMFRLJ-UHFFFAOYSA-N

Smiles:C1(O)=C(Cl)C=CC(Cl)=C1Cl

Mass

MS-NW-6740          
2,3,6-trichlorophenol
C6H3Cl3O            (Mass of molecular ion:    196)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      35.0       1.2
      36.0       1.9
      37.0       4.4
      38.0       1.8
      47.0       1.5
      48.0      10.7
      48.5       1.7
      49.0       4.9
      50.0       1.3
      53.0       3.7
      60.0       2.5
      61.0       8.2
      62.0      10.1
      63.0       5.2
      66.0       8.3
      67.0       5.4
      71.0       1.4
      72.0       3.7
      73.0       6.8
      74.0       2.0
      75.0       2.0
      80.0       2.0
      81.0       1.2
      83.0       1.8
      84.0       1.2
      85.0       1.3
      87.0       2.2
      90.0       1.9
      96.0       3.7
      97.0      33.4
      98.0       6.9
      99.0      14.1
     100.0       2.2
     107.0       3.5
     108.0       1.1
     109.0       2.5
     125.0       2.8
     127.0       1.0
     131.0       1.0
     132.0      23.9
     133.0       7.4
     134.0      15.8
     135.0       4.6
     136.0       3.0
     160.0      24.5
     161.0       1.9
     162.0      15.9
     163.0       1.2
     164.0       2.7
     167.0       2.4
     169.0       2.4
     196.0     100.0
     197.0       7.2
     198.0      97.5
     199.0       6.5
     200.0      31.3
     201.0       2.2
     202.0       3.6

parameter in CDCl3

90 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₃ Cl₃ O	0.051 g : 0.5 ml CDCl₃
2,3,6-trichlorophenol

    Parameter     ppm  Hz

      D(A)         7.183
      D(B)         7.003
       J(A,B)          8.72
     
      D(C)         5.54

     Hz     ppm     Int.

   2159.61   7.199    726
   2150.91   7.170   1000
   2104.91   7.016   1000
   2096.20   6.987    726
   1662.00   5.540    150

¹H NMR	89.56 MHz
C₆ H₃ Cl₃ O	0.051 g : 0.5 ml CDCl₃
2,3,6-trichlorophenol

    Assign.     Shift(ppm)

      A             7.183
      B             7.003
      C             5.5
     
     J(A,B)=8.7HZ

     Hz     ppm     Int.

    649.38   7.251    426
    640.63   7.154    976
    629.75   7.032   1000
    621.00   6.934    411
    495.94   5.538     59

in CDCl3

KBr disc

nujol mull

更多供应商

Capot Chemical Co., Ltd